SCHEMBL29910147

SCHEMBL29910147

Cn1cnc2cc(S(N)(=O)=O)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.52
CA9 Q16790 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
HDAC1 Q13547 3/20 0.46
HDAC8 Q9BY41 3/20 0.46
HDAC3 O15379 2/20 0.46
HDAC4 P56524 2/20 0.46
HDAC7 Q8WUI4 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC10 Q969S8 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC9 Q9UKV0 2/20 0.46
HDAC5 Q9UQL6 2/20 0.46
PIK3CG P48736 1/20 0.45
GRM5 P41594 1/20 0.45
GLRA3 O75311 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5343737 0.83 ALDH1A1 (0.48) ALDH1A1MAPTHDAC1HDAC8HDAC3
SCHEMBL5339617 0.83 ALDH1A1 (0.51) ALDH1A1MAPTHDAC1HDAC8HDAC3
SCHEMBL24904273 0.81 GRM5 (0.49) ALDH1A1MAPTHDAC1HDAC8HDAC3
SCHEMBL9127426 0.80 ALDH1A1 (0.57) CA12CA9CA1CA2ALDH1A1
SCHEMBL25669884 0.80 SMN1; SMN2 (0.52) ALDH1A1MAPTHDAC1HDAC8HDAC3
SCHEMBL10354572 0.77 HSD17B10 (0.55) ALDH1A1GLRA3GLRBKDM2BKMT2A
SCHEMBL31647146 0.76 GAA (0.48) CA12CA9CA1CA2ALDH1A1
Pyrrole SCHEMBL10572488 0.76 HDAC1 (0.47) ALDH1A1MAPTHDAC1HDAC8HDAC3
SCHEMBL38665929 0.73 CA12 (0.52) CA12CA9CA1CA2ALDH1A1
SCHEMBL212673 0.73 MAPT (0.61) ALDH1A1MAPTHDAC1HDAC8GRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11464784-B2 Inhibition of aminocylase 3 (AA3) in the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-10-11 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11464784-B2 Inhibition of aminocylase 3 (AA3) in the treatment of cancer PLAAT3, HCCS, LAP3 CA12 991/4885CA9 766/4885CA1 585/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.